4-(1H-imidazol-5-yl)-2-phenylpyrimidine

C13H10N4 — CID 90707377

IUPAC4-(1H-imidazol-5-yl)-2-phenylpyrimidine
SMILESc1ccc(-c2nccc(-c3cnc[nH]3)n2)cc1
InChIInChI=1S/C13H10N4/c1-2-4-10(5-3-1)13-15-7-6-11(17-13)12-8-14-9-16-12/h1-9H,(H,14,16)
InChIKeyZRSZEAXDKTULJB-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.53
Rot. Bonds2

About 4-(1H-imidazol-5-yl)-2-phenylpyrimidine

4-(1H-imidazol-5-yl)-2-phenylpyrimidine (PubChem CID 90707377) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-2-phenylpyrimidine
PubChem CID90707377
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name4-(1H-imidazol-5-yl)-2-phenylpyrimidine
SMILESc1ccc(-c2nccc(-c3cnc[nH]3)n2)cc1
InChIInChI=1S/C13H10N4/c1-2-4-10(5-3-1)13-15-7-6-11(17-13)12-8-14-9-16-12/h1-9H,(H,14,16)
InChIKeyZRSZEAXDKTULJB-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-2-phenylpyrimidine?
The IUPAC name of 4-(1H-imidazol-5-yl)-2-phenylpyrimidine (CID 90707377) is 4-(1H-imidazol-5-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-(1H-imidazol-5-yl)-2-phenylpyrimidine is c1ccc(-c2nccc(-c3cnc[nH]3)n2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-2-phenylpyrimidine?
The InChIKey is ZRSZEAXDKTULJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-4-10(5-3-1)13-15-7-6-11(17-13)12-8-14-9-16-12/h1-9H,(H,14,16).
What are the key properties of 4-(1H-imidazol-5-yl)-2-phenylpyrimidine?
4-(1H-imidazol-5-yl)-2-phenylpyrimidine has a molecular weight of 222.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-2-phenylpyrimidine is sourced from PubChem (CID 90707377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).